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(Q82006817)
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Armillarin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3-Formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
1 reference
based on heuristic
inferred from SMILES
mass
414.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₀O₆
0 references
canonical SMILES
O=CC1=CC2CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(OC)=CC4C)C13O
0 references
isomeric SMILES
CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C)O)OC
0 references
found in taxon
Gastrodia elata
1 reference
stated in
Crystal structure refinement
Armillaria mellea
3 references
stated in
Chemical constituents of Armillaria mellea mycelium. I. Isolation and characterization of armillarin and armillaridin
stated in
Chemical constituents of Armillaria mellea mycelium. I. Isolation and characterization of armillarin and armillaridin
stated in
Chemical constituents of Armillaria mellea mycelium. I. Isolation and characterization of armillarin and armillaridin
Armillaria solidipes
1 reference
stated in
Secondary Fungal Metabolites and Their Biological Activities, II. Occurrance of Antibiotic Compounds in Cultures of Armillaria ostoyae Growing in the Presence of an Antagonistic Fungus or Host Plant Cells
Identifiers
InChI
InChI=1S/C24H30O6/c1-13-6-16(29-5)8-18(26)20(13)21(27)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)28/h6-8,12,14,17,19,26,28H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1
0 references
InChIKey
ISKWRTCZWOXOOF-GNMVUSIZSA-N
0 references
CAS Registry Number
88642-93-7
0 references
PubChem CID
134206
1 reference
matched by identifier from
InChIKey
InChIKey
ISKWRTCZWOXOOF-GNMVUSIZSA-N
ChEBI ID
171676
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H30O6/c1-13-6-16(29-5)8-18(26)20(13)21(27)30-19-11-23(4)17-10-22(2,3)9-14(17)7-15(12-25)24(19,23)28/h6-8,12,14,17,19,26,28H,9-11H2,1-5H3/t14-,17+,19-,23-,24+/m1/s1
UniChem compound ID
1086153
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00276344
1 reference
matched by identifier from
InChIKey
InChIKey
ISKWRTCZWOXOOF-GNMVUSIZSA-N
DSSTOX compound identifier
DTXCID20227656
0 references
NSC number
9964
0 references
KNApSAcK ID
C00054964
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ISKWRTCZWOXOOF-GNMVUSIZSA-N
Natural Product Atlas ID
NPA019852
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ISKWRTCZWOXOOF-GNMVUSIZSA-N
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